tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate

C20H22N2O4S — CID 155522761

IUPACtert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate
SMILESCc1ccc(S(=O)(=O)n2c(NC(=O)OC(C)(C)C)cc3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(24,25)22-17-8-6-5-7-15(17)13-18(22)21-19(23)26-20(2,3)4/h5-13H,1-4H3,(H,21,23)
InChIKeyGXNOBJGFYVBTSB-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate

tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate (PubChem CID 155522761) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate
PubChem CID155522761
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Nametert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate
SMILESCc1ccc(S(=O)(=O)n2c(NC(=O)OC(C)(C)C)cc3ccccc32)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(24,25)22-17-8-6-5-7-15(17)13-18(22)21-19(23)26-20(2,3)4/h5-13H,1-4H3,(H,21,23)
InChIKeyGXNOBJGFYVBTSB-UHFFFAOYSA-N
XLogP4.53
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(4-benzenesulfonamidophenyl)-1H-indole-1-carboxylate
CID 25190797
N-[3-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanesulfonamide
CID 178298414
N-[5-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methanesulfonamide
CID 178301002
N-[6-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methanesulfonamide
CID 178312138
N-[3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanesulfonamide
CID 178315569
N-[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanesulfonamide
CID 178322522
N-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]benzenesulfonamide
CID 149917150
N-[3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanesulfonamide
CID 150334336
N-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methanesulfonamide
CID 150414430
N-[1-(benzenesulfonyl)-3-phenylindol-2-yl]methanesulfonamide
CID 152137099
4-methyl-N-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]benzenesulfonamide
CID 178296252
N-[3-(2-methylphenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanesulfonamide
CID 178296909

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate (CID 155522761) is tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate is Cc1ccc(S(=O)(=O)n2c(NC(=O)OC(C)(C)C)cc3ccccc32)cc1.
What is the InChIKey of tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate?
The InChIKey is GXNOBJGFYVBTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-9-11-16(12-10-14)27(24,25)22-17-8-6-5-7-15(17)13-18(22)21-19(23)26-20(2,3)4/h5-13H,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate?
tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate has a molecular weight of 386.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methylphenyl)sulfonylindol-2-yl]carbamate is sourced from PubChem (CID 155522761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).